N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide

C26H25N3O2 — CID 46474166

IUPACN-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cc2ccc(-n3cccn3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-31-24-15-11-22(12-16-24)26(21-7-4-3-5-8-21)28-25(30)19-20-9-13-23(14-10-20)29-18-6-17-27-29/h3-18,26H,2,19H2,1H3,(H,28,30)
InChIKeyBCLPHCLGCQZKIM-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.72
Rot. Bonds8

About N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide

N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 46474166) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID46474166
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cc2ccc(-n3cccn3)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-31-24-15-11-22(12-16-24)26(21-7-4-3-5-8-21)28-25(30)19-20-9-13-23(14-10-20)29-18-6-17-27-29/h3-18,26H,2,19H2,1H3,(H,28,30)
InChIKeyBCLPHCLGCQZKIM-UHFFFAOYSA-N
XLogP4.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[1-(4-bromophenyl)propyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46469513
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55675013
N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 46433418
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
2-(4-ethoxyphenyl)-N-pyridin-2-ylacetamide
CID 17458735

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide (CID 46474166) is N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide is CCOc1ccc(C(NC(=O)Cc2ccc(-n3cccn3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is BCLPHCLGCQZKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-31-24-15-11-22(12-16-24)26(21-7-4-3-5-8-21)28-25(30)19-20-9-13-23(14-10-20)29-18-6-17-27-29/h3-18,26H,2,19H2,1H3,(H,28,30).
What are the key properties of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide?
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 46474166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).